1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C15H27N3O — CID 102803914

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cn(C)nc1C
InChIInChI=1S/C15H27N3O/c1-4-9-16-15(8-7-13-6-5-10-19-13)14-11-18(3)17-12(14)2/h11,13,15-16H,4-10H2,1-3H3
InChIKeyWXLUGZXQXWMGNP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.73
Rot. Bonds7

About 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 102803914) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID102803914
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cn(C)nc1C
InChIInChI=1S/C15H27N3O/c1-4-9-16-15(8-7-13-6-5-10-19-13)14-11-18(3)17-12(14)2/h11,13,15-16H,4-10H2,1-3H3
InChIKeyWXLUGZXQXWMGNP-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 102803909
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 102803914) is 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is WXLUGZXQXWMGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-16-15(8-7-13-6-5-10-19-13)14-11-18(3)17-12(14)2/h11,13,15-16H,4-10H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 102803914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).